// Include all clib headers to make sure all of them are C-compatible, even if // we don't actually use all of them in this test. #include "cantera/clib/ct.h" #include "cantera/clib/ctfunc.h" #include "cantera/clib/ctmultiphase.h" #include "cantera/clib/ctonedim.h" #include "cantera/clib/ctreactor.h" #include "cantera/clib/ctrpath.h" #include "cantera/clib/ctsurf.h" #include "cantera/clib/ctxml.h" #include #include int main(int argc, char** argv) { int ret; int xml_file = xml_get_XML_File("gri30.xml", 0); assert(xml_file > 0); int phase_node = xml_findID(xml_file, "gri30_mix"); assert(phase_node > 0); int thermo = thermo_newFromXML(phase_node); assert(thermo > 0); size_t nsp = thermo_nSpecies(thermo); assert(nsp == 53); ret = thermo_setTemperature(thermo, 500); assert(ret == 0); ret = thermo_setPressure(thermo, 5 * 101325); assert(ret == 0); ret = thermo_setMoleFractionsByName(thermo, "CH4:1.0, O2:2.0, N2:7.52"); assert(ret == 0); ret = thermo_equilibrate(thermo, "HP", 0, 1e-9, 50000, 1000, 0); assert(ret == 0); double T = thermo_temperature(thermo); assert(T > 2200 && T < 2300); ret = thermo_print(thermo, 1, 0); assert(ret == 0); int kin = kin_newFromXML(phase_node, thermo, 0, 0, 0, 0); assert(kin > 0); size_t nr = kin_nReactions(kin); assert(nr == 325 ); ret = thermo_setTemperature(thermo, T - 200); assert(ret == 0); char buf [1000]; double ropf[325]; printf("\n Reaction Forward ROP\n"); kin_getFwdRatesOfProgress(kin, 325, ropf); int n; // declare this here for C89 compatibility for (n = 0; n < nr; n++) { kin_getReactionString(kin, n, 1000, buf); printf("%35s %8.6e\n", buf, ropf[n]); } printf("\n Species Mix diff coeff\n"); int tran = trans_new("Mix", thermo, 0); double dkm[53]; trans_getMixDiffCoeffs(tran, 53, dkm); int k; // declare this here for C89 compatibility for (k = 0; k < nsp; k++) { thermo_getSpeciesName(thermo, k, 1000, buf); printf("%10s %8.6e\n", buf, dkm[k]); } ret = thermo_setTemperature(thermo, 1050); assert(ret == 0); ret = thermo_setPressure(thermo, 5 * 101325); assert(ret == 0); ret = thermo_setMoleFractionsByName(thermo, "CH4:1.0, O2:2.0, N2:7.52"); assert(ret == 0); printf("\ntime Temperature\n"); int reactor = reactor_new(5); int net = reactornet_new(); ret = reactor_setThermoMgr(reactor, thermo); assert(ret == 0); ret = reactor_setKineticsMgr(reactor, kin); assert(ret == 0); ret = reactornet_addreactor(net, reactor); assert(ret == 0); double t = 0.0; while (t < 0.1 && ret == 0) { double T = reactor_temperature(reactor); t = reactornet_time(net); printf("%.2e %.3f\n", t, T); ret = reactornet_advance(net, t + 5e-3); assert(ret == 0); } ct_appdelete(); return 0; }